Slater orbitals for the atoms of transition elements
✍ Scribed by I. A. Morev; E. P. Smirnov
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1983
- Tongue
- English
- Weight
- 128 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract We present three Slater‐type atomic orbital (STO) valence basis (VB) sets for the first and second row atoms, referred to as the VB1, VB2, and VB3 bases. The smallest VB1 basis has the following structure: [3, 1] for the H and He atoms, [5, 1] for Li and Be, and [5, 3, 1] for the B to N
## Abstract Three exact Slater‐type function (STO) integral transforms are presented. The STO‐NG basis set can then be developed using either only 1s Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternati
Em-opPen dc CaIcrtl Alomiqur cl Mol&rrIaire. CECAM. Bt?fin~~~d 506. 91 Cantpus d'Orsay. Fv-ance Receivcrl 9 October 1970 The'concept of constructing moleculnr wivcfunctions using basis sets whose members consist of both Slater-type and gaussian-type atomic orbit:ds is ex:lmined through pilot SCF cal